CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)Cl)OC
Name: 7-chloro-5-(2-chlorophenyl)-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
SMILES: CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)Cl)OC

Molecular Processing

Molecular formula
C18H14Cl2N4O
Molecular weight
373.24
Exact mass
372.0545
XLogP
5.26
TPSA
62.3
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
101.36

Supplementary Information

InChIKey: ZGVKBEQWXYYEOS-UHFFFAOYSA-N
Synonyme
SCHEMBL3821563SCHEMBL13866279ZGVKBEQWXYYEOS-UHFFFAOYSA-N7-chloro-5-(2-chlorophenyl)-1,2-dihydro-8-methoxy-3-methyl-pyrazolo[3,4-b][1,4]benzodiazepine
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